UCSF

ZINC19364839

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.16 -7.67 -35.41 5 6 1 89 237.32 11
Lo Low (pH 4.5-6) -2.16 -5.25 -92.76 6 6 2 90 238.328 11

Vendor Notes

Note Type Comments Provided By
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )